Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes
Year: 2017
Journal of Atomic and Molecular Sciences, Vol. 8 (2017), Iss. 4 : pp. 157–161
Abstract
The one-photon and two-photon absorption properties of platinum acetylide complexes that feature hightly π-congugated ligands substituted with π-donor or π-acceptor moieties are investigated by use of the analytic response theory at DFT level. The numerical results show that these molecules have relatively strong two-photon absorption activities. While the platium insert into the ligands, TPA cross sections of the metal compounds are significantly enhanced. Metal clusters can also extend the π-conjugated length, which plays an important role in increasing the TPA cross section. Moreover, the NLO properties of metal clusters can be enhanced by the introduction of metal→ligand and ligand→metal charge-transfer states. The charge-transfer process is analyzed when the molecule is excited from the ground state to charge-transfer state.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.110217.121017a
Journal of Atomic and Molecular Sciences, Vol. 8 (2017), Iss. 4 : pp. 157–161
Published online: 2017-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 5